SCHEMBL9299191

SCHEMBL9299191

CC1(C)Oc2ccc(C#N)cc2[C@H](n2cc(COS(C)(=O)=O)c(COS(C)(=O)=O)cc2=O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.50
ABCC8 Q09428 2/20 0.50
KCNJ11 Q14654 2/20 0.50
KCNJ8 Q15842 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
LMNA P02545 1/20 0.50
KCNE1 P15382 4/20 0.47
KCNQ1 P51787 4/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
KCND3 Q9UK17 1/20 0.47
ABCB1 P08183 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9299194 1.00 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299421 0.90 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299425 0.90 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299509 0.88 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299501 0.88 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299506 0.88 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299776 0.87 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9300292 0.86 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299710 0.86 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9299706 0.86 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296492-A Certain chroman derivatives useful for treating symptoms caused by contraction of smooth muscles, circulatory diseases or epilepsy NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-03-22 US disclosed
EP-0518342-A1 Chroman derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-12-16 EP disclosed